- InChI
- InChI=1S/C10H17BrO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3
- InChI Key
- KMNWYBWUEWICRT-UHFFFAOYSA-N
- Formula
- C10H17BrO2
- SMILES
- CC(C)=CCOC(=O)CCCCBr
- Molecular Weight1
- 249.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -114.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.061 | Crippen Calculated Property | |
| McVol | 172.400 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Tboil | 574.69 | K | Joback Calculated Property |
| Tc | 770.92 | K | Joback Calculated Property |
| Tfus | 315.38 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.28; 463.41] | J/mol×K | [574.69; 770.92] | 
|
| Cp,gas | 393.28 | J/mol×K | 574.69 | Joback Calculated Property |
| Cp,gas | 406.57 | J/mol×K | 607.39 | Joback Calculated Property |
| Cp,gas | 419.19 | J/mol×K | 640.10 | Joback Calculated Property |
| Cp,gas | 431.15 | J/mol×K | 672.80 | Joback Calculated Property |
| Cp,gas | 442.49 | J/mol×K | 705.51 | Joback Calculated Property |
| Cp,gas | 453.24 | J/mol×K | 738.21 | Joback Calculated Property |
| Cp,gas | 463.41 | J/mol×K | 770.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 3-methylbut-2-enyl ester.
Sources
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